[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-(5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S2/c1-14-3-6-19-15(11-14)12-20(31-19)21(25)22-7-9-23(10-8-22)32(28,29)16-4-5-18(30-2)17(13-16)24(26)27/h4-5,12-14H,3,6-11H2,1-2H3